2-methyl-1-(4-methylsulfanylphenyl)-2-morpholin-4-ylbutan-1-one

C16H23NO2S — CID 15702405

IUPAC2-methyl-1-(4-methylsulfanylphenyl)-2-morpholin-4-ylbutan-1-one
SMILESCCC(C)(C(=O)c1ccc(SC)cc1)N1CCOCC1
InChIInChI=1S/C16H23NO2S/c1-4-16(2,17-9-11-19-12-10-17)15(18)13-5-7-14(20-3)8-6-13/h5-8H,4,9-12H2,1-3H3
InChIKeyZQPGRCHQXDHWIL-UHFFFAOYSA-N
MW293.43 g/mol
LogP3.09
Rot. Bonds5

About 2-methyl-1-(4-methylsulfanylphenyl)-2-morpholin-4-ylbutan-1-one

2-methyl-1-(4-methylsulfanylphenyl)-2-morpholin-4-ylbutan-1-one (PubChem CID 15702405) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is 2-methyl-1-(4-methylsulfanylphenyl)-2-morpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name2-methyl-1-(4-methylsulfanylphenyl)-2-morpholin-4-ylbutan-1-one
PubChem CID15702405
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC Name2-methyl-1-(4-methylsulfanylphenyl)-2-morpholin-4-ylbutan-1-one
SMILESCCC(C)(C(=O)c1ccc(SC)cc1)N1CCOCC1
InChIInChI=1S/C16H23NO2S/c1-4-16(2,17-9-11-19-12-10-17)15(18)13-5-7-14(20-3)8-6-13/h5-8H,4,9-12H2,1-3H3
InChIKeyZQPGRCHQXDHWIL-UHFFFAOYSA-N
XLogP3.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-(4-methylsulfanylphenyl)-2-morpholin-4-yl-3-oxopropanal
CID 18671064
1-(3-chloro-4-methylphenyl)-2-methyl-2-morpholin-4-ylbutan-1-one
CID 107559877
2-methyl-1-(2-methylsulfanylphenyl)-2-morpholin-4-ylbutan-1-one
CID 66596867
2-methyl-1-(4-methylsulfanylphenyl)-2-(4-morpholin-4-ylphenyl)butan-1-one
CID 161153433
1-(3-fluoro-5-methylphenyl)-2-methyl-2-morpholin-4-ylbutan-1-one
CID 79705373
N-(1-diethoxyphosphorylpropoxy)-2-methyl-1-(4-methylsulfanylphenyl)-2-morpholin-4-ylbutan-1-imine
CID 89128632
2-methyl-2-morpholin-4-yl-1-(4-prop-2-enylsulfanylphenyl)pent-4-en-1-one
CID 66879855
2-methyl-1-(5-methylthiophen-3-yl)-2-morpholin-4-ylbutan-1-one
CID 79065462
1-(4-butylsulfanylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 19879444
4-(4-bromophenyl)-2-(dimethylamino)-3-methyl-1-(4-methylsulfanylphenyl)-2-morpholin-4-ylbutan-1-one
CID 150543074
S-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl] methanethioate
CID 87506630
2-methyl-2-morpholin-4-yl-1-(4-phenylsulfanylphenyl)propan-1-one
CID 19879538

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methylsulfanylphenyl)-2-morpholin-4-ylbutan-1-one?
The IUPAC name of 2-methyl-1-(4-methylsulfanylphenyl)-2-morpholin-4-ylbutan-1-one (CID 15702405) is 2-methyl-1-(4-methylsulfanylphenyl)-2-morpholin-4-ylbutan-1-one.
What is the SMILES notation for 2-methyl-1-(4-methylsulfanylphenyl)-2-morpholin-4-ylbutan-1-one?
The canonical SMILES for 2-methyl-1-(4-methylsulfanylphenyl)-2-morpholin-4-ylbutan-1-one is CCC(C)(C(=O)c1ccc(SC)cc1)N1CCOCC1.
What is the InChIKey of 2-methyl-1-(4-methylsulfanylphenyl)-2-morpholin-4-ylbutan-1-one?
The InChIKey is ZQPGRCHQXDHWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2S/c1-4-16(2,17-9-11-19-12-10-17)15(18)13-5-7-14(20-3)8-6-13/h5-8H,4,9-12H2,1-3H3.
What are the key properties of 2-methyl-1-(4-methylsulfanylphenyl)-2-morpholin-4-ylbutan-1-one?
2-methyl-1-(4-methylsulfanylphenyl)-2-morpholin-4-ylbutan-1-one has a molecular weight of 293.43 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylsulfanylphenyl)-2-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 15702405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).